ChemSpider 2D Image | 1beta-hydroxyfriedelin | C30H50O2

1β-hydroxyfriedelin

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID26380756

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-1-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydro-3(2H)-picenon [German] [ACD/IUPAC Name]
(1R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-1-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydro-3(2H)-picenone [ACD/IUPAC Name]
(1R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-1-Hydroxy-4,4a,6b,8a,11,11,12b,14a-octaméthylicosahydro-3(2H)-picénone [French] [ACD/IUPAC Name]
1β-hydroxyfriedelin
3(2H)-Picenone, eicosahydro-1-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (1R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aR,14bS)- [ACD/Index Name]
(1R,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-1-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2H)-one
1β-hydroxy-3-oxo-D:A-friedooleanane
1β-Hydroxylfriedelin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 510.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 215.9±18.0 °C
Index of Refraction: 1.514
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 8.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1101420.38
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1101420.38
Polar Surface Area: 37 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 440.0±3.0 cm3

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